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"results": [
{
"id": "mp-1518099",
"created_at": "2022-09-04T14:41:34.194359Z",
"structure_string": "Ba2 Sr2 La2 Sb2 O12\n1.0\n6.091743 0.003722 -0.021278\n-0.002205 6.139647 -0.017426\n-0.038011 -0.031194 8.643108\nBa Sr La Sb O\n2 2 2 2 12\ndirect\n0.506654 0.527671 0.250007 Ba\n0.493346 0.472329 0.749993 Ba\n0.992106 0.037157 0.252109 Sr\n0.007894 0.962843 0.747891 Sr\n0.000000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.236250 0.193186 0.955645 O\n0.263103 0.697858 0.531257 O\n0.763750 0.806814 0.044355 O\n0.736897 0.302142 0.468743 O\n0.303540 0.737774 0.961098 O\n0.187309 0.231487 0.542390 O\n0.696460 0.262226 0.038902 O\n0.812691 0.768513 0.457610 O\n0.415933 0.992422 0.227924 O\n0.062896 0.465942 0.271129 O\n0.584067 0.007578 0.772076 O\n0.937104 0.534058 0.728871 O\n",
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{
"id": "mp-774623",
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"structure_string": "Li16 Sn4 P8 O32\n1.0\n10.429025 0.000000 0.000000\n0.000000 8.278304 0.000000\n0.000000 1.578249 8.879651\nLi Sn P O\n16 4 8 32\ndirect\n0.659202 0.104350 0.401371 Li\n0.163936 0.146531 0.356305 Li\n0.345673 0.158382 0.828083 Li\n0.422292 0.230664 0.520986 Li\n0.922292 0.269336 0.479014 Li\n0.845673 0.341618 0.171917 Li\n0.663936 0.353469 0.643695 Li\n0.159202 0.395650 0.598629 Li\n0.840798 0.604350 0.401371 Li\n0.336064 0.646531 0.356305 Li\n0.154327 0.658382 0.828083 Li\n0.077708 0.730664 0.520986 Li\n0.577708 0.769336 0.479014 Li\n0.654327 0.841618 0.171917 Li\n0.836064 0.853469 0.643695 Li\n0.340798 0.895650 0.598629 Li\n0.853241 0.094064 0.913490 Sn\n0.353241 0.405936 0.086510 Sn\n0.646759 0.594064 0.913490 Sn\n0.146759 0.905936 0.086510 Sn\n0.407138 0.014615 0.248707 P\n0.092862 0.514615 0.248707 P\n0.907138 0.485385 0.751293 P\n0.592862 0.985385 0.751293 P\n0.096564 0.046789 0.679311 P\n0.596564 0.453211 0.320689 P\n0.403436 0.546789 0.679311 P\n0.903436 0.953211 0.320689 P\n0.048753 0.991287 0.275121 O\n0.348292 0.089712 0.379383 O\n0.394765 0.140197 0.094894 O\n0.452872 0.035654 0.712832 O\n0.844535 0.113782 0.359478 O\n0.170098 0.104738 0.807843 O\n0.673385 0.139467 0.776124 O\n0.095094 0.189287 0.541265 O\n0.595094 0.310713 0.458735 O\n0.173385 0.360533 0.223876 O\n0.670098 0.395262 0.192157 O\n0.344535 0.386218 0.640522 O\n0.952872 0.464346 0.287168 O\n0.894765 0.359803 0.905106 O\n0.451247 0.491287 0.275121 O\n0.848292 0.410288 0.620617 O\n0.151708 0.589712 0.379383 O\n0.548753 0.508713 0.724879 O\n0.105235 0.640197 0.094894 O\n0.047128 0.535654 0.712832 O\n0.655465 0.613782 0.359478 O\n0.329902 0.604738 0.807843 O\n0.826615 0.639467 0.776124 O\n0.404906 0.689287 0.541265 O\n0.904906 0.810713 0.458735 O\n0.326615 0.860533 0.223876 O\n0.829902 0.895262 0.192157 O\n0.155465 0.886218 0.640522 O\n0.547128 0.964346 0.287168 O\n0.605235 0.859803 0.905106 O\n0.651708 0.910288 0.620617 O\n0.951247 0.008713 0.724879 O\n",
"nsites": 60,
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"elements": [
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],
"chemical_system": "Li-O-P-Sn",
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"density_atomic": 0.07826548380735987,
"volume": 766.6214668484266,
"volume_molar": 7.694503971664831,
"formula_full": "Li16 Sn4 P8 O32",
"formula_reduced": "Li4Sn(PO4)2",
"formula_anonymous": "AB2C4D8",
"energy": -402.83694604,
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"updated_at": "2021-11-28T01:35:27.452000Z",
"spacegroup": 14
},
{
"id": "mp-1523377",
"created_at": "2022-09-04T14:41:45.161060Z",
"structure_string": "Ca1 Hf1 Nb1 In1 O6\n1.0\n-0.000000 -4.101034 -4.101034\n4.101034 -0.000000 -4.101034\n4.101034 -4.101034 -0.000000\nCa Hf Nb In O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 In\n0.745873 0.254127 0.254127 O\n0.254127 0.745873 0.745873 O\n0.745873 0.254127 0.745873 O\n0.254127 0.745873 0.254127 O\n0.745873 0.745873 0.254127 O\n0.254127 0.254127 0.745873 O\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Ca-Hf-In-Nb-O",
"density": 6.287090161271375,
"density_atomic": 0.07249196878223486,
"volume": 137.94631554344866,
"volume_molar": 8.307321295260238,
"formula_full": "Ca1 Hf1 Nb1 In1 O6",
"formula_reduced": "CaHfNbInO6",
"formula_anonymous": "ABCDE6",
"energy": -84.55332536,
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"updated_at": "2021-11-28T01:35:41.818000Z",
"spacegroup": 216
},
{
"id": "mp-1520391",
"created_at": "2022-09-04T14:40:57.047984Z",
"structure_string": "Ba1 Ca1 Dy1 Bi1 O6\n1.0\n0.000000 -4.310660 -4.310660\n4.310660 0.000000 -4.310660\n4.310660 -4.310660 0.000000\nBa Ca Dy Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Bi\n0.755561 0.244439 0.244439 O\n0.244439 0.755561 0.755561 O\n0.755561 0.244439 0.755561 O\n0.244439 0.755561 0.244439 O\n0.755561 0.755561 0.244439 O\n0.244439 0.244439 0.755561 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.684484390555706,
"density_atomic": 0.06242214607678573,
"volume": 160.19955462119103,
"volume_molar": 9.647442676181209,
"formula_full": "Ba1 Ca1 Dy1 Bi1 O6",
"formula_reduced": "BaCaDyBiO6",
"formula_anonymous": "ABCDE6",
"energy": -69.24048676,
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"updated_at": "2021-11-28T01:35:01.078000Z",
"spacegroup": 216
},
{
"id": "mp-1522074",
"created_at": "2022-09-04T14:40:57.058838Z",
"structure_string": "K1 Ca1 La1 W1 O6\n1.0\n0.000000 -4.171573 -4.171573\n4.171573 0.000000 -4.171573\n4.171573 -4.171573 -0.000000\nK Ca La W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 W\n0.732531 0.267469 0.267469 O\n0.267469 0.732531 0.732531 O\n0.732531 0.267469 0.732531 O\n0.267469 0.732531 0.267469 O\n0.732531 0.732531 0.267469 O\n0.267469 0.267469 0.732531 O\n",
"nsites": 10,
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"elements": [
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"La",
"W",
"O"
],
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"density": 5.6947876296709,
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"formula_full": "K1 Ca1 La1 W1 O6",
"formula_reduced": "KCaLaWO6",
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"energy": -78.82383629,
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"updated_at": "2021-11-28T01:34:59.858000Z",
"spacegroup": 216
},
{
"id": "mp-1517444",
"created_at": "2022-09-04T14:40:54.814543Z",
"structure_string": "Ba8 Sm4 V4 O24\n1.0\n8.437307 0.000000 0.000000\n0.000000 8.437307 0.000000\n0.000000 0.000000 8.437307\nBa Sm V O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.000000 -0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n-0.000000 0.500000 -0.000000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Sm\n0.750000 0.250000 0.250000 Sm\n0.250000 0.750000 0.250000 Sm\n0.250000 0.250000 0.750000 Sm\n0.250000 0.250000 0.250000 V\n0.250000 0.750000 0.750000 V\n0.750000 0.250000 0.750000 V\n0.750000 0.750000 0.250000 V\n0.242090 0.258177 0.477320 O\n0.242090 0.741823 0.522680 O\n0.757910 0.258177 0.522680 O\n0.757910 0.741823 0.477320 O\n0.258177 0.477320 0.242090 O\n0.741823 0.522680 0.242090 O\n0.258177 0.522680 0.757910 O\n0.741823 0.477320 0.757910 O\n0.477320 0.242090 0.258177 O\n0.522680 0.242090 0.741823 O\n0.522680 0.757910 0.258177 O\n0.477320 0.757910 0.741823 O\n0.257910 0.241823 0.022680 O\n0.257910 0.758177 0.977320 O\n0.742090 0.241823 0.977320 O\n0.742090 0.758177 0.022680 O\n0.241823 0.022680 0.257910 O\n0.758177 0.977320 0.257910 O\n0.241823 0.977320 0.742090 O\n0.758177 0.022680 0.742090 O\n0.022680 0.257910 0.241823 O\n0.977320 0.257910 0.758177 O\n0.977320 0.742090 0.241823 O\n0.022680 0.742090 0.758177 O\n",
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"volume": 600.6362713530144,
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"formula_full": "Ba8 Sm4 V4 O24",
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"spacegroup": 201
},
{
"id": "mp-1197209",
"created_at": "2022-09-04T14:40:52.346410Z",
"structure_string": "Hg4 H80 C24 N8 Cl16\n1.0\n13.737446 0.000000 0.000000\n0.000000 6.667650 0.000000\n0.000000 5.955138 19.137336\nHg H C N Cl\n4 80 24 8 16\ndirect\n0.242667 0.064321 0.155528 Hg\n0.742667 0.935679 0.344472 Hg\n0.757333 0.935679 0.844472 Hg\n0.257333 0.064321 0.655528 Hg\n0.740038 0.407936 0.959630 H\n0.240038 0.592064 0.540370 H\n0.259962 0.592064 0.040370 H\n0.759962 0.407936 0.459630 H\n0.415275 0.464423 0.697129 H\n0.915275 0.535577 0.802871 H\n0.584725 0.535577 0.302871 H\n0.084725 0.464423 0.197129 H\n0.832774 0.092196 0.993468 H\n0.332774 0.907804 0.506532 H\n0.167226 0.907804 0.006532 H\n0.667226 0.092196 0.493468 H\n0.815701 0.086066 0.083495 H\n0.315701 0.913934 0.416505 H\n0.184299 0.913934 0.916505 H\n0.684299 0.086066 0.583495 H\n0.886791 0.291524 0.024884 H\n0.386791 0.708476 0.475116 H\n0.113209 0.708476 0.975116 H\n0.613209 0.291524 0.524884 H\n0.581847 0.272376 0.001916 H\n0.081847 0.727624 0.498084 H\n0.418153 0.727624 0.998084 H\n0.918153 0.272376 0.501916 H\n0.642240 0.075378 0.070104 H\n0.142240 0.924622 0.429896 H\n0.357760 0.924622 0.929896 H\n0.857760 0.075378 0.570104 H\n0.657141 0.081041 0.979960 H\n0.157141 0.918959 0.520040 H\n0.342859 0.918959 0.020040 H\n0.842859 0.081041 0.479960 H\n0.653527 0.538947 0.043745 H\n0.153527 0.461053 0.456255 H\n0.346473 0.461053 0.956255 H\n0.846473 0.538947 0.543745 H\n0.783011 0.559784 0.048920 H\n0.283011 0.440216 0.451080 H\n0.216989 0.440216 0.951080 H\n0.716989 0.559784 0.548920 H\n0.719655 0.346901 0.111565 H\n0.219655 0.653099 0.388435 H\n0.280345 0.653099 0.888435 H\n0.780345 0.346901 0.611565 H\n0.550838 0.260858 0.673107 H\n0.050838 0.739142 0.826893 H\n0.449162 0.739142 0.326893 H\n0.949162 0.260858 0.173107 H\n0.504751 0.155628 0.760151 H\n0.004751 0.844372 0.739849 H\n0.495249 0.844372 0.239849 H\n0.995249 0.155628 0.260151 H\n0.614144 0.311111 0.745658 H\n0.114144 0.688889 0.754342 H\n0.385856 0.688889 0.254342 H\n0.885856 0.311111 0.245658 H\n0.442778 0.393601 0.821320 H\n0.942778 0.606399 0.678680 H\n0.557222 0.606399 0.178680 H\n0.057222 0.393601 0.321320 H\n0.427629 0.667613 0.775131 H\n0.927629 0.332387 0.724869 H\n0.572371 0.332387 0.224869 H\n0.072371 0.667613 0.275131 H\n0.547486 0.562820 0.799733 H\n0.047486 0.437180 0.700267 H\n0.452514 0.437180 0.200267 H\n0.952514 0.562820 0.299733 H\n0.536381 0.629306 0.612542 H\n0.036381 0.370694 0.887458 H\n0.463619 0.370694 0.387458 H\n0.963619 0.629306 0.112542 H\n0.601783 0.692503 0.682051 H\n0.101783 0.307497 0.817949 H\n0.398217 0.307497 0.317949 H\n0.898217 0.692503 0.182051 H\n0.483036 0.802893 0.655212 H\n0.983036 0.197107 0.844788 H\n0.516964 0.197107 0.344788 H\n0.016964 0.802893 0.155212 H\n0.824407 0.186438 0.029531 C\n0.324407 0.813562 0.470469 C\n0.175593 0.813562 0.970469 C\n0.675593 0.186438 0.529531 C\n0.647189 0.175172 0.015851 C\n0.147189 0.824828 0.484149 C\n0.352811 0.824828 0.984149 C\n0.852811 0.175172 0.515851 C\n0.721502 0.450741 0.057710 C\n0.221502 0.549259 0.442290 C\n0.278498 0.549259 0.942290 C\n0.778498 0.450741 0.557710 C\n0.543046 0.287499 0.723941 C\n0.043046 0.712501 0.776059 C\n0.456954 0.712501 0.276059 C\n0.956954 0.287499 0.223941 C\n0.474668 0.530657 0.782929 C\n0.974668 0.469343 0.717071 C\n0.525332 0.469343 0.217071 C\n0.025332 0.530657 0.282929 C\n0.530185 0.665638 0.662116 C\n0.030185 0.334362 0.837884 C\n0.469815 0.334362 0.337884 C\n0.969815 0.665638 0.162116 C\n0.733645 0.314427 0.011152 N\n0.233645 0.685573 0.488848 N\n0.266355 0.685573 0.988848 N\n0.766355 0.314427 0.511152 N\n0.484953 0.482995 0.715089 N\n0.984953 0.517005 0.784911 N\n0.515047 0.517005 0.284911 N\n0.015047 0.482995 0.215089 N\n0.229813 0.675470 0.154115 Cl\n0.729813 0.324530 0.345885 Cl\n0.770187 0.324530 0.845885 Cl\n0.270187 0.675470 0.654115 Cl\n0.397013 0.225473 0.094606 Cl\n0.897013 0.774527 0.405394 Cl\n0.602987 0.774527 0.905394 Cl\n0.102987 0.225473 0.594606 Cl\n0.102853 0.253847 0.075297 Cl\n0.602853 0.746153 0.424703 Cl\n0.897147 0.746153 0.924703 Cl\n0.397147 0.253847 0.575297 Cl\n0.215193 0.062283 0.280610 Cl\n0.715193 0.937717 0.219390 Cl\n0.784807 0.937717 0.719390 Cl\n0.284807 0.062283 0.780610 Cl\n",
"nsites": 132,
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"elements": [
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"C",
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"Cl"
],
"chemical_system": "C-Cl-H-Hg-N",
"density": 1.753034613170191,
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"volume": 1752.9126490435926,
"volume_molar": 7.997186903428027,
"formula_full": "Hg4 H80 C24 N8 Cl16",
"formula_reduced": "HgH20C6(NCl2)2",
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"energy": -643.49708446,
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